element(s):
['Fe']
AFLOW prototype label:
A_cI2_229_a
Parameter names:
['a']
model type (only 'standard' supported at this time):
standard
number of parameter sets:
1
Parameter values for parameter set 0:
['2.9647']
model name:
Sim_LAMMPS_MEAM_LiyanageKimHouze_2014_FeC__SM_652425777808_001
==== Building ASE atoms object with: ====
representative atom symbols =  ['Fe']
representative atom coordinates =  [[0 0 0]]
spacegroup =  229
cell =  [[2.9647, 0, 0], [0, 2.9647, 0], [0, 0, 2.9647]]
=========================================
      Step     Time          Energy          fmax
BFGS:    0 16:55:27       -8.409328         1.223542
BFGS:    1 16:55:27       -8.467438         0.988879
BFGS:    2 16:55:27       -8.557551         0.175505
BFGS:    3 16:55:27       -8.559927         0.030769
BFGS:    4 16:55:27       -8.559999         0.000886
BFGS:    5 16:55:27       -8.559999         0.000006
BFGS:    6 16:55:27       -8.559999         0.000000
Minimization converged after 6 steps.
Maximum force component: 0.0 eV/Angstrom
Maximum stress component: 1.1500875255342541e-10 eV/Angstrom^3
==== Minimized structure obtained from ASE ====
symbols =  ['Fe', 'Fe']
basis =  [[0.  0.  0. ]
 [0.5 0.5 0.5]]
cellpar =  Cell([[2.8509978697746887, 4.282477663156706e-33, 1.8214494925674852e-34], [-1.7418598203783998e-35, 2.8509978697746887, -1.000994584015864e-18], [-4.0202714942946286e-35, -1.000994584015911e-18, 2.8509978697746887]])
forces =  [[0. 0. 0.]
 [0. 0. 0.]]
stress =  [-1.15008753e-10 -1.15008753e-10 -1.15008753e-10 -8.40423611e-28
 -3.24491318e-60 -5.14412203e-62]
energy per atom =  -4.27999957064657
===============================================
Parameter sets [0] relaxed to duplicate structures, attempting to write only one of them.
Successfully added property instance for parameter set 0